LAMMPS (19 Sep 2019)
  using 1 OpenMP thread(s) per MPI task
# GJF-2GJ thermostat

units   	metal
atom_style      full

boundary 	p p p
read_data argon.lmp
  orthogonal box = (0 0 0) to (32.146 32.146 32.146)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  864 atoms
  0 = max # of 1-2 neighbors
  0 = max # of 1-3 neighbors
  0 = max # of 1-4 neighbors
  1 = max # of special neighbors
  special bonds CPU = 0.000150019 secs
  read_data CPU = 0.001946 secs

include ff-argon.lmp
#############################
#Atoms types - mass - charge#
#############################
#@ 1 atom types #!THIS LINE IS NECESSARY DON'T SPEND HOURS FINDING THAT OUT!#

variable Ar equal 1

#############
#Atom Masses#
#############

mass ${Ar}      39.903
mass 1      39.903

###########################
#Pair Potentials - Tersoff#
###########################

pair_style      lj/cubic
pair_coeff      * * 0.0102701 3.42


velocity all create 10 2357 mom yes dist gaussian

neighbor 1 bin

timestep 0.1

fix lang all langevin 10 10 1 26488 gjf vfull
fix nve all nve

thermo 200
run 5000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.94072
  ghost atom cutoff = 6.94072
  binsize = 3.47036, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cubic, perpetual
      attributes: half, newton on
      pair build: half/bin/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.875 | 6.875 | 6.875 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0    11.080223   -56.207655            0    -54.97164    37.215524 
     200    8.2588471   -55.073602            0   -54.152316    339.80416 
     400    8.1427292   -55.072244            0    -54.16391    338.91883 
     600    8.7595618   -55.066739            0   -54.089596    344.25426 
     800     8.550633   -55.148315            0   -54.194479     318.9385 
    1000    8.5394337   -55.125709            0   -54.173122    326.59471 
    1200     8.565973   -55.114892            0   -54.159345     328.5193 
    1400    8.2092914   -55.109233            0   -54.193475    329.56161 
    1600     8.209495   -55.138161            0    -54.22238    321.39971 
    1800    8.4039924    -55.13355            0   -54.196072    322.64214 
    2000    8.4548937   -55.062994            0   -54.119838    343.29888 
    2200    8.3775139    -55.13364            0   -54.199116    323.63744 
    2400     8.537332   -55.163702            0    -54.21135    315.62864 
    2600     8.672488   -55.112054            0   -54.144625     330.1106 
    2800    8.3000218   -55.147275            0   -54.221396    318.73112 
    3000    8.3552421   -55.135164            0   -54.203124    323.53075 
    3200    8.4126798   -55.135753            0   -54.197306    321.48817 
    3400    8.4986413   -55.135408            0   -54.187372    323.42951 
    3600      8.38431   -55.103932            0    -54.16865    330.68929 
    3800    8.8262454   -55.103648            0   -54.119067    332.97779 
    4000    7.9658136   -55.120402            0   -54.231803     324.9595 
    4200    8.2265544   -55.129011            0   -54.211327    323.87069 
    4400    8.1253738   -55.153089            0   -54.246691      316.304 
    4600    8.2010823   -55.124053            0    -54.20921    325.98402 
    4800    8.5512149   -55.075877            0   -54.121976    338.30137 
    5000    8.4737659   -55.158604            0   -54.213343    316.22418 
Loop time of 2.73236 on 1 procs for 5000 steps with 864 atoms

Performance: 15810.507 ns/day, 0.002 hours/ns, 1829.920 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.4262     | 1.4262     | 1.4262     |   0.0 | 52.20
Bond    | 0.00042836 | 0.00042836 | 0.00042836 |   0.0 |  0.02
Neigh   | 0.12819    | 0.12819    | 0.12819    |   0.0 |  4.69
Comm    | 0.058611   | 0.058611   | 0.058611   |   0.0 |  2.15
Output  | 0.00047283 | 0.00047283 | 0.00047283 |   0.0 |  0.02
Modify  | 1.0924     | 1.0924     | 1.0924     |   0.0 | 39.98
Other   |            | 0.02605    |            |       |  0.95

Nlocal:    864 ave 864 max 864 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    1593 ave 1593 max 1593 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    18143 ave 18143 max 18143 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 18143
Ave neighs/atom = 20.9988
Ave special neighs/atom = 0
Neighbor list builds = 158
Dangerous builds = 5


Total wall time: 0:00:02
